1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea

C15H24N2O3 — CID 111455158

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea
SMILESCOCC(NC(=O)NC(C)C(C)CO)c1ccccc1
InChIInChI=1S/C15H24N2O3/c1-11(9-18)12(2)16-15(19)17-14(10-20-3)13-7-5-4-6-8-13/h4-8,11-12,14,18H,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyIGFOIJWRZFEURS-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.69
Rot. Bonds7

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea (PubChem CID 111455158) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea
PubChem CID111455158
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea
SMILESCOCC(NC(=O)NC(C)C(C)CO)c1ccccc1
InChIInChI=1S/C15H24N2O3/c1-11(9-18)12(2)16-15(19)17-14(10-20-3)13-7-5-4-6-8-13/h4-8,11-12,14,18H,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyIGFOIJWRZFEURS-UHFFFAOYSA-N
XLogP1.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111455621
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methoxy-1-phenylethyl)urea
CID 111618774
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454185
1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111505801
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111338426
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982
N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 112700980

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea (CID 111455158) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea is COCC(NC(=O)NC(C)C(C)CO)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea?
The InChIKey is IGFOIJWRZFEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(9-18)12(2)16-15(19)17-14(10-20-3)13-7-5-4-6-8-13/h4-8,11-12,14,18H,9-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea has a molecular weight of 280.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea is sourced from PubChem (CID 111455158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).